3-amino-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol

C15H21NO3 — CID 82020729

IUPAC3-amino-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
SMILESCCOc1ccc2c(c1)C(O)C(N)C1(CCCC1)O2
InChIInChI=1S/C15H21NO3/c1-2-18-10-5-6-12-11(9-10)13(17)14(16)15(19-12)7-3-4-8-15/h5-6,9,13-14,17H,2-4,7-8,16H2,1H3
InChIKeyHTLXFKAHQROBKK-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.15
Rot. Bonds2

About 3-amino-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol

3-amino-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol (PubChem CID 82020729) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-amino-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol.

Molecular Properties

Compound Name3-amino-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
PubChem CID82020729
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-amino-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
SMILESCCOc1ccc2c(c1)C(O)C(N)C1(CCCC1)O2
InChIInChI=1S/C15H21NO3/c1-2-18-10-5-6-12-11(9-10)13(17)14(16)15(19-12)7-3-4-8-15/h5-6,9,13-14,17H,2-4,7-8,16H2,1H3
InChIKeyHTLXFKAHQROBKK-UHFFFAOYSA-N
XLogP2.15
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-7-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol;hydrochloride
CID 82020766
3-amino-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 82020765
(4S)-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 42130108
3-amino-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 82020755
6-ethoxy-2,2-dimethyl-3-morpholin-4-yl-3,4-dihydrochromen-4-ol
CID 82187460
(4R)-6-ethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 93174887
2'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 114715432
6-butoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462803
(1R,2R)-2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-ol
CID 12051572
6-ethoxy-3-piperidin-1-yl-3,4-dihydro-2H-chromen-4-ol
CID 82187147
6-ethoxy-N,N-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82046925
3-(dipropylamino)-6-ethoxy-3,4-dihydro-2H-chromen-4-ol
CID 82187139

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol?
The IUPAC name of 3-amino-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol (CID 82020729) is 3-amino-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol.
What is the SMILES notation for 3-amino-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol?
The canonical SMILES for 3-amino-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol is CCOc1ccc2c(c1)C(O)C(N)C1(CCCC1)O2.
What is the InChIKey of 3-amino-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol?
The InChIKey is HTLXFKAHQROBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-18-10-5-6-12-11(9-10)13(17)14(16)15(19-12)7-3-4-8-15/h5-6,9,13-14,17H,2-4,7-8,16H2,1H3.
What are the key properties of 3-amino-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol?
3-amino-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol has a molecular weight of 263.34 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol is sourced from PubChem (CID 82020729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).